chlorozinc(1+);trifluoromethoxybenzene

C7H4ClF3OZn — CID 156599699

IUPACchlorozinc(1+);trifluoromethoxybenzene
SMILESCl[Zn+].FC(F)(F)Oc1c[c-]ccc1
InChIInChI=1S/C7H4F3O.ClH.Zn/c8-7(9,10)11-6-4-2-1-3-5-6;;/h1-2,4-5H;1H;/q-1;;+2/p-1
InChIKeyQODVDBDNCBNJNN-UHFFFAOYSA-M
MW261.94 g/mol
LogP3.07
Rot. Bonds1

About chlorozinc(1+);trifluoromethoxybenzene

chlorozinc(1+);trifluoromethoxybenzene (PubChem CID 156599699) has the molecular formula C7H4ClF3OZn and a molecular weight of 261.94 g/mol. Its IUPAC name is chlorozinc(1+);trifluoromethoxybenzene.

Molecular Properties

Compound Namechlorozinc(1+);trifluoromethoxybenzene
PubChem CID156599699
Molecular FormulaC7H4ClF3OZn
Molecular Weight261.94 g/mol
Exact Mass259.92
IUPAC Namechlorozinc(1+);trifluoromethoxybenzene
SMILESCl[Zn+].FC(F)(F)Oc1c[c-]ccc1
InChIInChI=1S/C7H4F3O.ClH.Zn/c8-7(9,10)11-6-4-2-1-3-5-6;;/h1-2,4-5H;1H;/q-1;;+2/p-1
InChIKeyQODVDBDNCBNJNN-UHFFFAOYSA-M
XLogP3.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.94
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chlorozinc(1+);trifluoromethoxybenzene?
The IUPAC name of chlorozinc(1+);trifluoromethoxybenzene (CID 156599699) is chlorozinc(1+);trifluoromethoxybenzene.
What is the SMILES notation for chlorozinc(1+);trifluoromethoxybenzene?
The canonical SMILES for chlorozinc(1+);trifluoromethoxybenzene is Cl[Zn+].FC(F)(F)Oc1c[c-]ccc1.
What is the InChIKey of chlorozinc(1+);trifluoromethoxybenzene?
The InChIKey is QODVDBDNCBNJNN-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H4F3O.ClH.Zn/c8-7(9,10)11-6-4-2-1-3-5-6;;/h1-2,4-5H;1H;/q-1;;+2/p-1.
What are the key properties of chlorozinc(1+);trifluoromethoxybenzene?
chlorozinc(1+);trifluoromethoxybenzene has a molecular weight of 261.94 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chlorozinc(1+);trifluoromethoxybenzene is sourced from PubChem (CID 156599699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).